SCHEMBL24329372

SCHEMBL24329372

O=C(Nc1nc2ccncc2s1)c1ccn(C2CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.48
NPC1 O15118 9/20 0.47
RAB9A P51151 9/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
HTT P42858 4/20 0.47
PKM P14618 2/20 0.47
SCD O00767 1/20 0.43
HCRTR1 O43613 1/20 0.43
MAPT P10636 5/20 0.42
TP53 P04637 2/20 0.42
POLB P06746 2/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
KMT2A Q03164 1/20 0.42
ABL1 P00519 4/20 0.41
KDM4E B2RXH2 3/20 0.41
KIT P10721 1/20 0.41
PDGFRA P16234 1/20 0.41
GLA P06280 1/20 0.41
CASP3 P42574 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26884209 0.82 NPC1 (0.51) ROCK2NPC1RAB9ASMN1; SMN2HTT
SCHEMBL24329367 0.78 HCRTR1 (0.43) NPC1RAB9ASMN1; SMN2HTTPKM
SCHEMBL24329371 0.76 NPC1 (0.47) ROCK2NPC1RAB9ASMN1; SMN2HTT
SCHEMBL24329375 0.75 NPC1 (0.44) ROCK2NPC1RAB9ASMN1; SMN2HTT
SCHEMBL24329377 0.74 RAB9A (0.69) ROCK2NPC1RAB9ASMN1; SMN2HTT
SCHEMBL26645981 0.70 ROCK2 (0.56) ROCK2NPC1RAB9ASMN1; SMN2HTT
SCHEMBL24329368 0.70 NPC1 (0.56) ROCK2NPC1RAB9ASMN1; SMN2HTT
SCHEMBL23109995 0.69 ROCK2 (0.72) ROCK2NPC1RAB9AABL1KIT
SCHEMBL24845426 0.69 ROCK2 (0.72) ROCK2NPC1RAB9AABL1KIT
SCHEMBL22578811 0.67 ACKR3 (0.41) SMN1; SMN2MAPTKDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230382903-A1 SMALL MOLECULE MODULATORS OF GP130 SIGNALING PATHWAYS, TOPICAL FORMULATIONS AND METHOD OF USE THEREOF CARTHRONIX INC (US) 2023-11-30 US disclosed
US-20230382903-A1 SMALL MOLECULE MODULATORS OF GP130 SIGNALING PATHWAYS, TOPICAL FORMULATIONS AND METHOD OF USE THEREOF CARTHRONIX INC (US) 2023-11-30 US disclosed
WO-2022082071-A1 SMALL MOLECULE MODULATORS OF GP130 SIGNALING PATHWAYS, TOPICAL FORMULATIONS AND METHOD OF US THEREOF CARTHRONIX, INC. (US) 2022-04-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230382903-A1 SMALL MOLECULE MODULATORS OF GP130 SIGNALING PATHWAYS, TOPICAL FORMULATIONS AND METHOD OF USE THEREOF STAT1, STAT3, STAT6 ROCK2 1855/4885NPC1 2133/4885RAB9A 3504/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.